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Materials Chemistry

Working Paper

A Computational Descriptor Analysis on Excited State Behaviours of a Series of TADF and Non-TADF Compounds

Pelin Ulukan, Ekin Esme Bas, Rengin Busra Ozek, Cansu Dal Kaynak, Antonio Monari, Viktorya Aviyente, Saron Catak

Version 1 posted 02 November 2021

480

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Physical Chemistry

Working Paper

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

Tian Lu, Qinxue Chen, Zeyu Liu

Version 2 posted 23 December 2019

6,897

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6

Citations

Theoretical and Computational Chemistry

Working Paper

Ultrastrong Regulation Effect of Electric Field on Cyclo[18]carbon: Phenomenon and Essence

Tian Lu, Qinxue Chen

Version 2 posted 28 September 2020

1,058

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Physical Chemistry

Working Paper

Accurate prediction of vertical ionization potentials and electron affinities from spin-component scaled CC2 and ADC(2) models

Ahmed Shaalan Alag, Dávid P. Jelenfi, Attila Tajti, Péter G. Szalay

Version 2 posted 29 September 2022

242

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Physical Chemistry

Working Paper

Calculation of the ELF in the excited state with single determinant methods

Andrea Echeverri, Miguel Gallegos, Tatiana Gómez, Angél Martín Pendás, Carlos Cárdenas

Version 1 posted 19 January 2023

132

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Physical Chemistry

Working Paper

Silver cation-mediated dual-emissive Au–Ag bimetallic nanoclusters for pH ratiometric sensing

Po Peng, Liu-Xi Zheng, Pan-Yue Wang, Jia-Feng Zhou, Meng Ding, Hao-Di Sun, Bing-Qian Shan, kun zhang

Version 1 posted 22 July 2021

125

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Theoretical and Computational Chemistry

Working Paper

Machine Learning Seams of Conical Intersection: A Characteristic Polynomial Approach

Tzu Yu Wang, Simon Neville, Michael Schuurman

Version 1 posted 20 June 2023

107

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Materials Science

Working Paper

Excited-state odd-even effect in through-space interactions

Zuping Xiong, Jianyu Zhang, Jing Zhi Sun, Haoke Zhang, Ben Zhong Tang

Version 1 posted 03 July 2023

174

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Theoretical and Computational Chemistry

Working Paper

Photophysical Properties of Sulfone-Based TADF Emitters In Relation To Their Structural Properties

Aslıhan Hepguler, Pelin Ulukan, Saron Catak

Version 1 posted 04 May 2023

200

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Theoretical and Computational Chemistry

Working Paper

Density-based Reactivity Theory Applied to Excited States

Shubin Liu, Xiaoyan An, Wenbiao Zhang, Xin He, Meng Li, CHunying Rong

Version 1 posted 17 November 2023

122

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12 results in excited state in Keywords: excited state

A Computational Descriptor Analysis on Excited State Behaviours of a Series of TADF and Non-TADF Compounds

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

Ultrastrong Regulation Effect of Electric Field on Cyclo[18]carbon: Phenomenon and Essence

Accurate prediction of vertical ionization potentials and electron affinities from spin-component scaled CC2 and ADC(2) models

Calculation of the ELF in the excited state with single determinant methods

Silver cation-mediated dual-emissive Au–Ag bimetallic nanoclusters for pH ratiometric sensing

Machine Learning Seams of Conical Intersection: A Characteristic Polynomial Approach

Excited-state odd-even effect in through-space interactions

Photophysical Properties of Sulfone-Based TADF Emitters In Relation To Their Structural Properties

Density-based Reactivity Theory Applied to Excited States

12 results in Keywords: excited state